* LIGAND DATABASE FILE (OPLS2005)
*
001      70    71    122    190     358
    1     0 S   NP   _N1_     1    29.00351    95.94619   -19.74987
    2     1 S   H    _HN1     2     1.02949    82.61334    19.73637
    3     1 S   H    _H1_     3     1.02829    45.33754   142.85243
    4     1 S   H    _H2_     4     1.02772    80.73579   -90.34759
    5     1 S   CT   _CA1     5     1.50148   156.01611   144.64001
    6     5 S   HC   _HA1     6     1.09562   105.25380    58.12785
    7     5 S   CO3  _C1_     7     1.53876   112.03447   -62.26077
    8     7 S   O2Z  _O11     8     1.26393   114.95102   -47.41198
    9     7 S   O2Z  _O12     9     1.26173   114.98913   131.24114
   10     5 S   CT   _CB1    10     1.53060   107.39259   176.26220
   11    10 S   HC   HB11    11     1.09824   109.79151   -46.87866
   12    10 S   HC   HB12    12     1.09813   110.35094    69.87788
   13    10 S   CT   _CG1    13     1.52946   112.37740  -167.69331
   14    13 S   HC   HG11    14     1.09441   110.44528   -58.52333
   15    13 S   HC   HG12    15     1.09594   109.80605    60.57211
   16    13 S   C    _CD1    16     1.51781   112.18634  -178.85431
   17    16 S   O    _OE1    17     1.22773   123.09491     0.07662
   18    16 S   N    _N2_    18     1.38567   111.81568   179.89347
   19    18 S   H    _HN2    19     1.01761   118.82682     4.18760
   20    18 S   CT1  _CA2    20     1.46111   123.27701  -177.99680
   21    20 S   HC   _HA2    21     1.09738   109.07975   -12.81021
   22    20 S   C    _C2_    22     1.53563   109.18393  -128.35561
   23    22 S   O    _O2_    23     1.23084   122.04540  -152.84810
   24    20 S   CT   _CB2    32     1.53500   111.87441   109.04428
   25    24 S   HC   HB21    33     1.09412   110.11202    58.75836
   26    24 S   HC   HB22    34     1.09553   110.14646   176.05206
   27    22 S   N    _N3_    24     1.38391   113.77569    34.86565
   28    27 S   H    _HN3    25     1.01527   118.96412    -3.65372
   29    24 S   S    _SG2    35     1.82921   112.43548   -65.55061
   30    27 S   CT   _CA3    26     1.45386   123.34183   175.10607
   31    30 S   HC   HA31    27     1.09544   108.88672    30.45406
   32    30 S   HC   HA32    28     1.09493   107.20373   147.34610
   33    29 S   CT   _C16    36     1.84945   100.37741   128.40727
   34    33 S   HC   _H5_    37     1.09583   108.17437    37.87878
   35    30 S   CO3  _C3_    29     1.52943   113.38545   -92.81312
   36    35 S   O2Z  _O31    30     1.26399   115.59441   -42.52046
   37    35 S   O2Z  _O32    31     1.26406   114.92428   138.41540
   38    33 S   CM   _C11    38     1.52552   109.12473   -81.71704
   39    38 S   CT   _C12    39     1.51586   114.35252   -78.77261
   40    39 S   HC   _H10    40     1.09814   108.05107    64.34534
   41    39 S   HC   _H11    41     1.09324   112.95334  -179.89913
   42    38 S   CM   _C10    53     1.34600   119.72039   101.78890
   43    42 S   HC   _H9_    54     1.08466   119.53319    -0.26020
   44    39 S   CT1  _C13    42     1.53004   111.87148   -55.46003
   45    44 S   HC   _H4_    43     1.09811   107.37251   161.46574
   46    42 S   CD   _C9_    55     1.48238   124.42783  -179.49101
   47    46 S   HC   _H8_    56     1.10082   115.26632   -27.38485
   48    44 S   NE   _N6_    44     1.45256   111.41967    43.31287
   49    48 S   H    _H12    45     1.01749   117.70680   169.08629
   50    44 S   CO3  _C17    50     1.54276   116.77002   -80.03791
   51    50 S   O2Z  _O40    51     1.26321   116.66964     9.96794
   52    50 S   O2Z  _O39    52     1.26762   114.70827  -168.50680
   53    46 S   NI   _N5_    57     1.28519   128.96296   153.26292
   54    33 S   CM   _C14    46     1.51496   108.47585   155.52279
   55    53 S   CT1  _C7_    58     1.46377   120.82837    -3.28074
   56    55 S   HC   _H3_    59     1.09562   113.07455   -15.74190
   57    54 S   CMA  _C15    47     1.54139   121.05676   -78.02556
   58    57 S   OM   _O37    48     1.26494   120.63388   162.56888
   59    57 S   OM   _O38    49     1.26400   121.60081   -17.91471
   60    55 S   C5A  _C5_    60     1.48592   110.91081   107.15789
   61    55 S   CO3  _C8_    68     1.54143   106.22694  -132.72919
   62    61 S   O2Z  _O36    69     1.26376   116.95473   -76.72373
   63    61 S   O2Z  _O35    70     1.26754   114.07712   102.62596
   64    60 S   C5BD _C4_    61     1.37631   134.44883    29.17707
   65    64 S   HA   _H6_    62     1.07957   127.20812     0.43790
   66    64 S   C5BB _C6_    63     1.39960   103.33670  -179.74744
   67    66 S   N5A  _N4_    64     1.33148   113.55454     0.14537
   68    66 S   OH   _O34    66     1.34136   128.57703  -179.91844
   69    68 S   HO   _H7_    67     0.97264   109.76523     0.36530
   70    60 S   OA   _O33    65     1.36670   116.25087  -150.46354
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  15   6   2   1   1  14  13   6   5   7   3   8   6   6   2   8
   3   3   1   1   8   3  10   6   2   1   1   9   4   1   1   6
   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    54    57    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    54    57    58    59    42    43    46  
   38    39    48    54    57    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    54    57    50    42    43    46    47    53  
   40    41    44    45    48    49    54    50    51    52    42    43    46  
   41    44    45    48    50    42  
   44    45    48    50    42  
   43    46    47    53    55    44    54  
   46    47    53  
   45    48    49    54    57    50    51    52  
   48    49    54    50    51    52  
   47    53    55    56    60    61  
   53    55  
   49    54    57    58    59    50    51    52  
   54    57    50  
   51    52    54  
   52  
    0  
   55    56    60    64    70    61    62    63  
   57    58    59  
   56    60    64    65    66    67    70    61    62    63  
   60    64    70    61    62    63  
   58    59  
   59  
    0  
   64    65    66    67    70    68    61    62    63  
   62    63    64    70  
   63  
    0  
   65    66    67    70    68    69  
   66    67    70    68  
   67    70    68    69  
   70    68    69  
   69    70  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.118300   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.7500   0.1050   0.352800   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.040200   1.4250   1.2500   0.008598240   0.268726247
   48   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   49   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   50   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   54   3.5500   0.0760  -0.583200   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660   0.077500   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   59   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   60   3.5500   0.0700   0.233000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   64   3.5500   0.0700  -0.455000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.184000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700   0.608000   2.0020   1.7750   0.001000000  -0.843144165
   67   3.2500   0.1700  -0.413000   1.8650   1.6500   0.001000000  -0.511443539
   68   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   70   2.9000   0.1400  -0.122000   1.6450   1.4500   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    54   317.000  1.510
   38    39   317.000  1.510
   38    42   549.000  1.340
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    48   382.000  1.448
   44    50   317.000  1.522
   48    49   434.000  1.010
   48    54   425.000  1.378
   54    57   465.000  1.376
   57    58   745.000  1.250
   57    59   745.000  1.250
   50    51   656.000  1.250
   50    52   656.000  1.250
   42    43   340.000  1.080
   42    46   320.000  1.464
   46    47   370.000  1.093
   46    53   500.000  1.261
   53    55   315.000  1.431
   55    56   340.000  1.090
   55    60   295.000  1.489
   55    61   317.000  1.522
   60    64   546.000  1.367
   60    70   340.000  1.360
   64    65   367.000  1.080
   64    66   469.000  1.421
   66    67   410.000  1.320
   66    68   450.000  1.364
   67    70   462.000  1.399
   68    69   553.000  0.945
   61    62   656.000  1.250
   61    63   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    54    75.00000  112.20000
   33    38    39    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    54    48    75.00000  116.24600
   33    54    57    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    41    35.00000  109.50000
   38    39    44    70.00000  112.02700
   38    42    43    35.00000  120.00000
   38    42    46    60.00000  120.31500
   39    44    45    37.50000  110.70000
   39    44    48    80.00000  111.61500
   39    44    50    63.00000  111.10000
   41    39    40    33.00000  107.80000
   44    39    40    37.50000  110.70000
   44    39    41    37.50000  110.70000
   44    48    49    35.00000  112.50000
   44    48    54    50.00000  121.00000
   44    50    51    70.00000  117.00000
   44    50    52    70.00000  117.00000
   48    44    45    35.00000  109.50000
   48    54    57    70.00000  124.03900
   54    33    34    35.00000  109.50000
   54    33    38    70.00000  110.12100
   54    48    49    35.00000  114.50000
   54    57    58    65.00000  137.10300
   54    57    59    65.00000  137.10300
   59    57    58    65.00000  121.00000
   50    44    45    35.00000  109.50000
   50    44    48    63.00000  110.10000
   52    50    51    80.00000  126.00000
   42    38    39    70.00000  124.00000
   42    46    47    40.00000  113.81000
   42    46    53    70.00000  121.86000
   46    42    43    40.00000  114.85300
   46    53    55    75.00000  114.96100
   53    46    47    45.00000  120.55300
   53    55    56    45.00000  110.38000
   53    55    60    80.00000  110.73400
   53    55    61    80.00000  108.92000
   55    60    64    50.00000  131.81400
   55    60    70    80.00000  116.10000
   55    61    62    70.00000  117.00000
   55    61    63    70.00000  117.00000
   60    55    56    45.00000  110.47400
   60    64    65    35.00000  126.90000
   60    64    66    70.00000  103.80000
   60    70    67    70.00000  108.90000
   64    66    67    70.00000  111.90000
   64    66    68    75.00000  125.92000
   66    64    65    35.00000  128.20000
   66    67    70    70.00000  105.30000
   66    68    69    35.00000  113.00000
   70    60    64    70.00000  110.60000
   68    66    67    90.00000  117.04000
   61    55    56    35.00000  109.50000
   61    55    60    70.00000  110.34000
   63    61    62    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    54  -0.62250  1.0 1.0
   24    29    33    54  -0.38450 -1.0 2.0
   24    29    33    54   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    54    48   0.09700  1.0 1.0
   29    33    54    48   0.15600 -1.0 2.0
   29    33    54    48  -0.50800  1.0 3.0
   29    33    54    57   0.42700  1.0 1.0
   29    33    54    57  -0.70350 -1.0 2.0
   29    33    54    57  -0.43150  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    41   0.34800  1.0 3.0
   33    38    39    44   0.46850  1.0 1.0
   33    38    39    44   0.08550 -1.0 2.0
   33    38    39    44   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    54    57    58   7.00000 -1.0 2.0
   33    54    57    59   7.00000 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    54    48  -0.18050  1.0 3.0
   34    33    54    57   0.00000  1.0 1.0
   38    33    54    48  -1.35150  1.0 1.0
   38    33    54    48   0.13900 -1.0 2.0
   38    33    54    48   0.25250  1.0 3.0
   38    33    54    57  -0.28300  1.0 1.0
   38    33    54    57   0.26700 -1.0 2.0
   38    33    54    57  -0.63300  1.0 3.0
   38    39    44    45   0.15000  1.0 3.0
   38    39   -44    48   0.21700  1.0 1.0
   38    39   -44    48   0.68550 -1.0 2.0
   38    39   -44    48  -0.27950  1.0 3.0
   38    39    44    50  -0.98800  1.0 1.0
   38    39    44    50   0.48800 -1.0 2.0
   38    39    44    50   0.76800  1.0 3.0
   38    42    46    47   1.36050 -1.0 2.0
   38    42    46    53   1.09650  1.0 1.0
   38    42    46    53   0.48950 -1.0 2.0
   38    42    46    53   0.49400  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   39    44    48    49   0.00000  1.0 1.0
   39    44    48    54   0.25450  1.0 1.0
   39    44    48    54  -0.61700 -1.0 2.0
   39    44    48    54  -0.23550  1.0 3.0
   39    44    50    51   0.00000  1.0 1.0
   39    44    50    52   0.00000  1.0 1.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    48   0.22950  1.0 3.0
   40    39    44    50  -0.03800  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    48   0.22950  1.0 3.0
   41    39    44    50  -0.03800  1.0 3.0
   44    48   -54    33   1.00000 -1.0 2.0
   44    48    54    57  -0.54700  1.0 1.0
   44    48    54    57   1.23000 -1.0 2.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    54   0.00000  1.0 1.0
   45    44    50    51   0.00000  1.0 1.0
   45    44    50    52   0.00000  1.0 1.0
   48    44    50    51   0.00000  1.0 1.0
   48    44    50    52   0.00000  1.0 1.0
   48    54    57    58   7.00000 -1.0 2.0
   48    54    57    59   7.00000 -1.0 2.0
   49    48    54    33   2.40850 -1.0 2.0
   49    48    54    57   1.00000 -1.0 2.0
   54    33   -38    39   0.09700  1.0 1.0
   54    33   -38    39   0.15600 -1.0 2.0
   54    33   -38    39  -0.50800  1.0 3.0
   54    33    38    42  -0.28300  1.0 1.0
   54    33    38    42   0.26700 -1.0 2.0
   54    33    38    42  -0.63300  1.0 3.0
   50    44    48    49   0.00000  1.0 1.0
   50    44    48    54  -0.12500  1.0 1.0
   50    44    48    54  -0.12500 -1.0 2.0
   50    44    48    54   0.25000  1.0 3.0
   42    38    39    40   0.00000  1.0 1.0
   42    38    39    41   0.00000  1.0 1.0
   42    38    39    44   0.09850  1.0 1.0
   42    38    39    44   0.15250 -1.0 2.0
   42    38    39    44  -0.50650  1.0 3.0
   42    46    53    55   6.00000 -1.0 2.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    53   1.00600 -1.0 2.0
   46    53    55    56  -0.15000  1.0 3.0
   46    53    55    60  -0.12500  1.0 1.0
   46    53    55    60  -0.12500 -1.0 2.0
   46    53    55    60   0.25000  1.0 3.0
   46    53    55    61  -0.12500  1.0 1.0
   46    53    55    61  -0.12500 -1.0 2.0
   46    53    55    61   0.25000  1.0 3.0
   47    46    53    55  -0.02700  1.0 1.0
   47    46    53    55   5.27600 -1.0 2.0
   53    55    60    64   0.04300 -1.0 2.0
   53    55    60    70   0.04300 -1.0 2.0
   53    55    61    62   0.30150 -1.0 2.0
   53    55    61    63   0.30150 -1.0 2.0
   55    60    64    65   3.62500 -1.0 2.0
   55    60    64    66   3.62500 -1.0 2.0
   55    60    70    67   3.62500 -1.0 2.0
   56    55    60    64   0.00000  1.0 1.0
   56    55    60    70   0.00000  1.0 1.0
   56    55    61    62   0.00000  1.0 1.0
   56    55    61    63   0.00000  1.0 1.0
   60    55    61    62   0.30150 -1.0 2.0
   60    55    61    63   0.30150 -1.0 2.0
   60    64   -66    67   3.62500 -1.0 2.0
   60    64    66    68   3.62500 -1.0 2.0
   64    60   -70    67   3.62500 -1.0 2.0
   64    66   -67    70   3.62500 -1.0 2.0
   64    66    68    69   0.84100 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    68   3.62500 -1.0 2.0
   66    67   -70    60   3.62500 -1.0 2.0
   67    66    68    69   0.49400 -1.0 2.0
   70    60    64    65   3.62500 -1.0 2.0
   70    60   -64    66   3.62500 -1.0 2.0
   68    66    67    70   3.62500 -1.0 2.0
   61    55    60    64   0.04300 -1.0 2.0
   61    55    60    70   0.04300 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42   1.10000 -1.0 2.0
   49    54    48    44   1.00000 -1.0 2.0
   33    48    54    57   1.10000 -1.0 2.0
   58    59    57    54   1.10000 -1.0 2.0
   51    44    50    52  10.50000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   42    47    46    53  10.50000 -1.0 2.0
   64    70    60    55   4.00000 -1.0 2.0
   66    65    64    60   1.10000 -1.0 2.0
   67    68    66    64   4.00000 -1.0 2.0
   62    55    61    63  10.50000 -1.0 2.0
END
